COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.628  -4.981  -0.137  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.705  -3.848  -0.156  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.804  -2.379  -0.182  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.416  -1.771   0.032  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.515  -0.306   0.007  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.293   0.189   1.150  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.258   0.276  -0.027  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.167  -0.478  -0.039  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.121   1.674  -0.056  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.840   2.227  -0.089  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.859   3.630  -0.114  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.059   4.189  -0.102  1.00  0.00           C  
HETATM   13  S   UNL     1      -3.316   2.963  -0.056  1.00  0.00           S  
HETATM   14  N   UNL     1       0.216   1.378  -0.093  1.00  0.00           N  
HETATM   15  C   UNL     1       0.039   0.075  -0.072  1.00  0.00           C  
HETATM   16  N   UNL     1       1.153  -0.751  -0.083  1.00  0.00           N  
HETATM   17  C   UNL     1       0.986  -2.206  -0.059  1.00  0.00           C  
HETATM   18  C   UNL     1       2.496  -0.168  -0.119  1.00  0.00           C  
HETATM   19  C   UNL     1       3.230  -0.650  -1.373  1.00  0.00           C  
HETATM   20  C   UNL     1       4.653  -0.087  -1.374  1.00  0.00           C  
HETATM   21  C   UNL     1       3.279  -0.609   1.122  1.00  0.00           C  
HETATM   22  C   UNL     1       4.700  -0.047   1.048  1.00  0.00           C  
HETATM   23  N   UNL     1       5.360  -0.538  -0.168  1.00  0.00           N  
HETATM   24  C   UNL     1       6.771  -0.132  -0.203  1.00  0.00           C  
HETATM   25  C   UNL     1       7.528  -0.823   0.933  1.00  0.00           C  
HETATM   26  H   UNL     1      -5.197  -2.058  -1.146  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.472  -2.047   0.612  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.023  -2.092   0.997  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.747  -2.104  -0.762  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.808  -0.112   2.078  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.351   1.277   1.107  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.299  -0.229   1.114  1.00  0.00           H  
HETATM   33  H   UNL     1       0.047   4.216  -0.142  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.241   5.254  -0.118  1.00  0.00           H  
HETATM   35  H   UNL     1       0.923  -2.582  -1.081  1.00  0.00           H  
HETATM   36  H   UNL     1       1.839  -2.662   0.444  1.00  0.00           H  
HETATM   37  H   UNL     1       0.071  -2.458   0.477  1.00  0.00           H  
HETATM   38  H   UNL     1       2.421   0.919  -0.135  1.00  0.00           H  
HETATM   39  H   UNL     1       3.269  -1.740  -1.376  1.00  0.00           H  
HETATM   40  H   UNL     1       2.700  -0.303  -2.260  1.00  0.00           H  
HETATM   41  H   UNL     1       5.183  -0.441  -2.259  1.00  0.00           H  
HETATM   42  H   UNL     1       4.613   1.002  -1.386  1.00  0.00           H  
HETATM   43  H   UNL     1       2.784  -0.232   2.017  1.00  0.00           H  
HETATM   44  H   UNL     1       3.318  -1.698   1.159  1.00  0.00           H  
HETATM   45  H   UNL     1       4.660   1.042   1.025  1.00  0.00           H  
HETATM   46  H   UNL     1       5.264  -0.371   1.923  1.00  0.00           H  
HETATM   47  H   UNL     1       7.209  -0.419  -1.159  1.00  0.00           H  
HETATM   48  H   UNL     1       6.841   0.949  -0.081  1.00  0.00           H  
HETATM   49  H   UNL     1       8.576  -0.522   0.907  1.00  0.00           H  
HETATM   50  H   UNL     1       7.091  -0.536   1.889  1.00  0.00           H  
HETATM   51  H   UNL     1       7.458  -1.904   0.811  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    4    2   26   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4    6    7                                            
CONECT    6    5   30   31   32                                       
CONECT    7    5    8    8    9                                       
CONECT    8    7    7   15                                            
CONECT    9    7   13   10   10                                       
CONECT   10    9    9   14   11                                       
CONECT   11   10   12   12   33                                       
CONECT   12   13   11   11   34                                       
CONECT   13    9   12                                                 
CONECT   14   15   15   10                                            
CONECT   15    8   16   14   14                                       
CONECT   16   18   15   17                                            
CONECT   17   16   35   36   37                                       
CONECT   18   19   21   16   38                                       
CONECT   19   20   18   39   40                                       
CONECT   20   23   19   41   42                                       
CONECT   21   22   18   43   44                                       
CONECT   22   23   21   45   46                                       
CONECT   23   24   20   22                                            
CONECT   24   25   23   47   48                                       
CONECT   25   24   49   50   51                                       
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
